3-hexanoyl-2-methyl-6-oxidanylidene-1,2-dihydropyridine-3-carbonitrile

Systemtic Name: 3-hexanoyl-2-methyl-6-oxidanylidene-1,2-dihydropyridine-3-carbonitrile Openeye Name: 3-hexanoyl-2-methyl-6-oxo-1,2-dihydropyridine-3-carbonitrile CAS Name: 2-methyl-6-oxo-3-(1-oxohexyl)-1,2-dihydropyridine-3-carbonitrile IUPAC Name: 3-hexanoyl-2-methyl-6-oxo-1,2-dihydropyridine-3-carbonitrile Traditional Name: 3-caproyl-6-keto-2-methyl-1,2-dihydropyridine-3-carbonitrile Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1(C=CC(=O)NC1C)C#N

Isomeric SMILES

CCCCCC(=O)C1(C=CC(=O)NC1C)C#N

InChI

InChI=1S/C13H18N2O2/c1-3-4-5-6-11(16)13(9-14)8-7-12(17)15-10(13)2/h7-8,10H,3-6H2,1-2H3,(H,15,17)